SCHEMBL3878366

SCHEMBL3878366

COc1cc(-c2ccc(C=O)[nH]2)[nH]c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EZH2 Q15910 2/20 0.34
AOX1 Q06278 1/20 0.33
TRIM24 O15164 1/20 0.33
HPGD P15428 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CYP19A1 P11511 1/20 0.32
NQO2 P16083 1/20 0.32
FDPS P14324 1/20 0.32
PRKDC P78527 1/20 0.32
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9766726 0.74 ALDH1A1 (0.53) ALDH1A1MAPTTDP1HIF1AEPAS1
SCHEMBL229716 0.74 EZH2 (0.59) ALDH1A1MAPTKDM4EEZH2HPGD
SCHEMBL14873891 0.70 RIPK1 (0.55)
SCHEMBL24493715 0.70 PDGFRB (0.36) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL18946289 0.69 ERN1 (0.33) ALDH1A1TSHRTDP1KDM4EPRKDC
SCHEMBL231362 0.68 PRKDC (0.46) ALDH1A1MAPTTSHRTDP1KDM4E
SCHEMBL13568565 0.68 MAP2K1 (0.53) ALDH1A1MAPTTDP1KDM4EHPGD
SCHEMBL229717 0.67 PDGFRB (0.46) MAPT
SCHEMBL18945838 0.66 BRD4 (0.33) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL10154742 0.66 TUBB1 (0.49) ALDH1A1MAPTKDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016176450-A1 TAMBJAMINES AND B-RING FUNCTIONALIZED PRODIGININES PORTLAND STATE UNIVERSITY (US) 2016-11-03 WO disclosed
US-7491745-B2 Pyrrole-Type compounds, compositions and methods for treating cancer or viral disease GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-02-17 US disclosed
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide GEMIN X BIOTECHNOLOGIES INC. (CA) 2007-02-15 US disclosed
EP-1431286-A2 Prodigiosin derivatives for treating cancer or viral diseases Gemin X Biotechnologies Inc. (CA) 2004-06-23 EP disclosed
EP-1255753-B1 PRODIGIOSIN-DERIVATIVES AS NEOPLASTIC AND ANTI-VIRAL AGENTS GEMIN X BIOTECHNOLOGIES INC (CA) 2004-06-23 EP disclosed
US-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases GEMIN X BIOTECHNOLOGIES INC. 2004-01-22 US disclosed
US-6602879-B2 For inhibiting the replication or infectivity of a virus; therapy GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-08-05 US disclosed
US-20030009032-A1 Pyrrole-type compounds, compositions, and methods for treating cancer or viral diseases GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2003-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases POLI, PYCR1, ZC3HAV1 ALDH1A1 3326/4885MAPT 2438/4885TSHR 4715/4885
US-20030009032-A1 Pyrrole-type compounds, compositions, and methods for treating cancer or viral diseases POLI, PYCR1, ZC3HAV1 ALDH1A1 3326/4885MAPT 2438/4885TSHR 4715/4885
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide POLI, PCNA, ELL ALDH1A1 2915/4885MAPT 4492/4885TSHR 4562/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.